bis(1-chloro-3-trimethylsilylcyclopenta-2,4-dien-1-yl)-dimethylsilane

C18H30Cl2Si3 — CID 141235169

IUPACbis(1-chloro-3-trimethylsilylcyclopenta-2,4-dien-1-yl)-dimethylsilane
SMILESC[Si](C)(C)C1=CC(Cl)([Si](C)(C)C2(Cl)C=CC([Si](C)(C)C)=C2)C=C1
InChIInChI=1S/C18H30Cl2Si3/c1-21(2,3)15-9-11-17(19,13-15)23(7,8)18(20)12-10-16(14-18)22(4,5)6/h9-14H,1-8H3
InChIKeyBFEXZUKKZGEOBZ-UHFFFAOYSA-N
MW401.60 g/mol
LogP6.48
Rot. Bonds4

About bis(1-chloro-3-trimethylsilylcyclopenta-2,4-dien-1-yl)-dimethylsilane

bis(1-chloro-3-trimethylsilylcyclopenta-2,4-dien-1-yl)-dimethylsilane (PubChem CID 141235169) has the molecular formula C18H30Cl2Si3 and a molecular weight of 401.60 g/mol. Its IUPAC name is bis(1-chloro-3-trimethylsilylcyclopenta-2,4-dien-1-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(1-chloro-3-trimethylsilylcyclopenta-2,4-dien-1-yl)-dimethylsilane
PubChem CID141235169
Molecular FormulaC18H30Cl2Si3
Molecular Weight401.60 g/mol
Exact Mass400.10
IUPAC Namebis(1-chloro-3-trimethylsilylcyclopenta-2,4-dien-1-yl)-dimethylsilane
SMILESC[Si](C)(C)C1=CC(Cl)([Si](C)(C)C2(Cl)C=CC([Si](C)(C)C)=C2)C=C1
InChIInChI=1S/C18H30Cl2Si3/c1-21(2,3)15-9-11-17(19,13-15)23(7,8)18(20)12-10-16(14-18)22(4,5)6/h9-14H,1-8H3
InChIKeyBFEXZUKKZGEOBZ-UHFFFAOYSA-N
XLogP6.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.60
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(1-chloro-3-trimethylsilylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The IUPAC name of bis(1-chloro-3-trimethylsilylcyclopenta-2,4-dien-1-yl)-dimethylsilane (CID 141235169) is bis(1-chloro-3-trimethylsilylcyclopenta-2,4-dien-1-yl)-dimethylsilane.
What is the SMILES notation for bis(1-chloro-3-trimethylsilylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The canonical SMILES for bis(1-chloro-3-trimethylsilylcyclopenta-2,4-dien-1-yl)-dimethylsilane is C[Si](C)(C)C1=CC(Cl)([Si](C)(C)C2(Cl)C=CC([Si](C)(C)C)=C2)C=C1.
What is the InChIKey of bis(1-chloro-3-trimethylsilylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The InChIKey is BFEXZUKKZGEOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30Cl2Si3/c1-21(2,3)15-9-11-17(19,13-15)23(7,8)18(20)12-10-16(14-18)22(4,5)6/h9-14H,1-8H3.
What are the key properties of bis(1-chloro-3-trimethylsilylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
bis(1-chloro-3-trimethylsilylcyclopenta-2,4-dien-1-yl)-dimethylsilane has a molecular weight of 401.60 g/mol, XLogP of 6.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-chloro-3-trimethylsilylcyclopenta-2,4-dien-1-yl)-dimethylsilane is sourced from PubChem (CID 141235169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).